| SpectraBase Compound ID | 5Rfqd4I3qtD |
|---|---|
| InChI | InChI=1S/C5H4Cl4O2/c6-2-1-3-11-4(10)5(7,8)9/h1-2H,3H2/b2-1+ |
| InChIKey | KPJDOQORQYKCEB-OWOJBTEDSA-N |
| Mol Weight | 237.9 g/mol |
| Molecular Formula | C5H4Cl4O2 |
| Exact Mass | 235.89654 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 85fxChihwue |
|---|---|
| Name | Trichloroacetic acid, 3-chloroprop-2-enyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.896540167 u |
| Formula | C5H4Cl4O2 |
| InChI | InChI=1S/C5H4Cl4O2/c6-2-1-3-11-4(10)5(7,8)9/h1-2H,3H2/b2-1+ |
| InChIKey | KPJDOQORQYKCEB-OWOJBTEDSA-N |
| Molecular Weight | 237.897 g/mol |
| SMILES | C(C(=O)OC\C=C\Cl)(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968701 |